SCHEMBL6808822

SCHEMBL6808822

[C]#CC(C)CCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 2/20 0.41
OPRK1 P41145 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13900603 0.79 POLB (0.47) TSHRPOLBMEN1KMT2AALDH1A1
SCHEMBL7290305 0.79 TSHR (0.49) TSHRPOLBMEN1KMT2AALDH1A1
SCHEMBL8675172 0.78 SIGMAR1 (0.52) TSHRCYP1A2OPRK1
SCHEMBL7008509 0.76 TSHR (0.48) TSHRPOLBMEN1KMT2AALDH1A1
SCHEMBL4785593 0.75 TSHR (0.52) TSHRPOLBMEN1KMT2AALDH1A1
Benzene SCHEMBL27914804 0.75 AOC3 (0.55) TSHRPOLBMEN1KMT2AALDH1A1
SCHEMBL10697566 0.75 TSHR (0.52) TSHRPOLBMEN1KMT2AALDH1A1
SCHEMBL167715 0.75 AOC3 (0.55) TSHRPOLBMEN1KMT2AALDH1A1
SCHEMBL28896083 0.75 SIGMAR1 (0.45) TSHRPOLBMEN1KMT2AALDH1A1
Ammonia Solution, Strong SCHEMBL4461727 0.73 AOC3 (0.53) TSHRPOLBMEN1KMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040053983-A1 1, 2, 4-tribsubstituted benzenes as inhibitors of 15-lipoxygenase BARVIAN NICOLE CHANTEL (US) 2004-03-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040053983-A1 1, 2, 4-tribsubstituted benzenes as inhibitors of 15-lipoxygenase ALOX15, ALOX5, ALOX15B TSHR 1794/4885POLB 1525/4885MEN1 4514/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.